2-chloro-5-iodo-4-methyl-1,3-thiazole

C4H3ClINS — CID 158619111

IUPAC2-chloro-5-iodo-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1I
InChIInChI=1S/C4H3ClINS/c1-2-3(6)8-4(5)7-2/h1H3
InChIKeyHXTRVPASUSETRR-UHFFFAOYSA-N
MW259.50 g/mol
LogP2.71
Rot. Bonds

About 2-chloro-5-iodo-4-methyl-1,3-thiazole

2-chloro-5-iodo-4-methyl-1,3-thiazole (PubChem CID 158619111) has the molecular formula C4H3ClINS and a molecular weight of 259.50 g/mol. Its IUPAC name is 2-chloro-5-iodo-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-iodo-4-methyl-1,3-thiazole
PubChem CID158619111
Molecular FormulaC4H3ClINS
Molecular Weight259.50 g/mol
Exact Mass258.87
IUPAC Name2-chloro-5-iodo-4-methyl-1,3-thiazole
SMILESCc1nc(Cl)sc1I
InChIInChI=1S/C4H3ClINS/c1-2-3(6)8-4(5)7-2/h1H3
InChIKeyHXTRVPASUSETRR-UHFFFAOYSA-N
XLogP2.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.50
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-iodo-4-methyl-1,3-thiazole?
The IUPAC name of 2-chloro-5-iodo-4-methyl-1,3-thiazole (CID 158619111) is 2-chloro-5-iodo-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-iodo-4-methyl-1,3-thiazole?
The canonical SMILES for 2-chloro-5-iodo-4-methyl-1,3-thiazole is Cc1nc(Cl)sc1I.
What is the InChIKey of 2-chloro-5-iodo-4-methyl-1,3-thiazole?
The InChIKey is HXTRVPASUSETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClINS/c1-2-3(6)8-4(5)7-2/h1H3.
What are the key properties of 2-chloro-5-iodo-4-methyl-1,3-thiazole?
2-chloro-5-iodo-4-methyl-1,3-thiazole has a molecular weight of 259.50 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-iodo-4-methyl-1,3-thiazole is sourced from PubChem (CID 158619111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).